In Tersoff Brenner formula:
-Do I calculate the bij then bij or calculate bij only ?
-In the figure , explaine to me wath are the neighbors atoms of atom 1 can we use for calculate bij ?
- Wath is the range of bij ?
- Can we use the Tersoff Brenner potential for silica?
I create an algorithm that can solve [K]{u}={F} for atomic structure, but the results are not converge
Do the boundary conditions affect the convergence of the resolution of a system of nonlinear partial equations?
And how to know if the solution is diverged because of the boundary conditions...
I need some advice and help please
-Is There a two body force field suitable to study silica crystal or alpha quartz crystal? it's okay to gives Approximate results.
- Is the BKS force field suitable for silica crystal?
- If there are other simple terms of force field for studying the silica...